4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid

C7H15NO3 — CID 91264744

IUPAC4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid
SMILESCN(C)CCC(C)(O)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(11,6(9)10)4-5-8(2)3/h11H,4-5H2,1-3H3,(H,9,10)
InChIKeyWXQJUBXWOSCGHY-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.23
Rot. Bonds4

About 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid

4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid (PubChem CID 91264744) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid
PubChem CID91264744
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid
SMILESCN(C)CCC(C)(O)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(11,6(9)10)4-5-8(2)3/h11H,4-5H2,1-3H3,(H,9,10)
InChIKeyWXQJUBXWOSCGHY-UHFFFAOYSA-N
XLogP-0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid?
The IUPAC name of 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid (CID 91264744) is 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid is CN(C)CCC(C)(O)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid?
The InChIKey is WXQJUBXWOSCGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(11,6(9)10)4-5-8(2)3/h11H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid?
4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 91264744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).